(Pivaloyloxy)Methyl [6R-[6alpha,7beta(R*)]]-7-(2-Amino-2-Phenylacetamido)-3-Methyl-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate Monohydrochloride
[CAS# 27726-31-4]

Identification

• Name: (Pivaloyloxy)Methyl [6R-[6alpha,7beta(R*)]]-7-(2-Amino-2-Phenylacetamido)-3-Methyl-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate Monohydrochloride
• Synonyms: 2,2-Dimethylpropanoyloxymethyl (6R,7R)-7-[(2-Amino-2-Phenyl-Acetyl)Amino]-3-Methyl-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate Hydrochloride; (6R,7R)-7-[(2-Amino-1-Oxo-2-Phenylethyl)Amino]-3-Methyl-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid (2,2-Dimethyl-1-Oxopropoxy)Methyl Ester Hydrochloride; (6R,7R)-7-[(2-Amino-2-Phenyl-Acetyl)Amino]-8-Keto-3-Methyl-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid Pivaloyloxymethyl Ester Hydrochloride
• Molecular Formula: C₂₂H₂₈ClN₃O₆S
• Molecular Weight: 497.99
• CAS Registry Number: 27726-31-4
• EINECS: 248-622-3
• SMILES: [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)C(N)C3=CC=CC=C3)C(OCOC(=O)C(C)(C)C)=O)C.[H+].[Cl-]
• InChI: 1S/C22H27N3O6S.ClH/c1-12-10-32-19-15(24-17(26)14(23)13-8-6-5-7-9-13)18(27)25(19)16(12)20(28)30-11-31-21(29)22(2,3)4;/h5-9,14-15,19H,10-11,23H2,1-4H3,(H,24,26);1H/t14?,15-,19-;/m1./s1
• InChIKey: SGRIOOASEBLTKK-GNYIYVNYSA-N

Properties

• Boiling point: 711.7°C at 760 mmHg (Cal.)
• Flash point: 384.2°C (Cal.)